4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one

C19H23N5O3S — CID 91606639

IUPAC4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one
SMILESC[C@@H]1CCN(C(=O)Cn2c(O)csc2=O)CC1N(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C19H23N5O3S/c1-12-5-8-23(16(25)10-24-17(26)11-28-19(24)27)9-15(12)22(2)14-4-7-21-18-13(14)3-6-20-18/h3-4,6-7,11-12,15,26H,5,8-10H2,1-2H3,(H,20,21)/t12-,15?/m1/s1
InChIKeyZRZCEPRSTWRCGD-KEKZHRQWSA-N
MW401.49 g/mol
LogP1.87
Rot. Bonds4

About 4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one

4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one (PubChem CID 91606639) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one
PubChem CID91606639
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one
SMILESC[C@@H]1CCN(C(=O)Cn2c(O)csc2=O)CC1N(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C19H23N5O3S/c1-12-5-8-23(16(25)10-24-17(26)11-28-19(24)27)9-15(12)22(2)14-4-7-21-18-13(14)3-6-20-18/h3-4,6-7,11-12,15,26H,5,8-10H2,1-2H3,(H,20,21)/t12-,15?/m1/s1
InChIKeyZRZCEPRSTWRCGD-KEKZHRQWSA-N
XLogP1.87
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one with MolForge

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Related Compounds

1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 58051593
1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58051589
methane;3-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CID 159108542
3,3,3-trifluoro-1-[4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 73050335
methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate
CID 59659083
1-[4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 73018908
(3R,4R)-N-benzyl-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 11703555
(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 66662880
(4R)-N-[5-(cyanomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 58692439
(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 11509386
2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone
CID 11509352
N-methyl-N-(4-methyl-1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 73040573

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one (CID 91606639) is 4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one is C[C@@H]1CCN(C(=O)Cn2c(O)csc2=O)CC1N(C)c1ccnc2[nH]ccc12.
What is the InChIKey of 4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one?
The InChIKey is ZRZCEPRSTWRCGD-KEKZHRQWSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-12-5-8-23(16(25)10-24-17(26)11-28-19(24)27)9-15(12)22(2)14-4-7-21-18-13(14)3-6-20-18/h3-4,6-7,11-12,15,26H,5,8-10H2,1-2H3,(H,20,21)/t12-,15?/m1/s1.
What are the key properties of 4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one?
4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one has a molecular weight of 401.49 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 91606639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).